7F4Z

X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	45.850, 63.599, 144.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.411 - 1.800
R-factor	0.1796
Rwork	0.178
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aqz
RMSD bond length	0.006
RMSD bond angle	0.839
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.690	1.860
High resolution limit [Å]	1.800	1.800
Rmeas	0.076	0.701
Rpim	0.032	0.287
Number of reflections	39659	3886
<I/σ(I)>	16.5	2.6
Completeness [%]	99.1	98.5
Redundancy	5.4	5.7
CC(1/2)	0.998	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	31% PEG550 MME, 200 mM MgCl2, 300 mM KCl and 100 mM Bis-Tris pH 6.0